SCHEMBL8894659

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	6/20	0.56

▸	VIPR1	P32241	4/20	0.54

▸	BACE1	P56817	3/20	0.53

▸	BACE2	Q9Y5Z0	2/20	0.53

▸	IL23R	Q5VWK5	1/20	0.52

▸	KISS1R	Q969F8	2/20	0.52

▸	F2	P00734	2/20	0.52

▸	GLP1R	P43220	2/20	0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL8894047	0.97	VIPR2 (0.52)	VIPR2VIPR1BACE1BACE2IL23R
SCHEMBL8894994	0.94	KISS1R (0.59)	VIPR2VIPR1BACE1BACE2IL23R
SCHEMBL8894598	0.91	BACE1 (0.53)	VIPR2BACE1BACE2IL23RKISS1R
SCHEMBL31243850	0.89	IL23R (0.52)	VIPR2VIPR1BACE1BACE2IL23R
SCHEMBL31243849	0.89	IL23R (0.52)	VIPR2VIPR1BACE1BACE2IL23R
SCHEMBL31634763	0.89	IL23R (0.52)	VIPR2VIPR1BACE1BACE2IL23R
SCHEMBL8893062	0.89	IL23R (0.57)	BACE1BACE2IL23RKISS1RGLP1R
SCHEMBL31243883	0.89	BACE1 (0.56)	VIPR2BACE1BACE2
SCHEMBL29405269	0.87	VIPR1 (0.71)	VIPR2VIPR1KISS1RGLP1R
SCHEMBL29974534	0.87	NTSR2 (0.54)	KISS1RF2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5618785-A	ANTIISCHEMIC AGENTS, ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS	CENTOCOR, INC. (US)	1997-04-08	—	—	US	disclosed
WO-1995014787-A1	PEPTIDE INHIBITORS OF SELECTING BINDING	CENTOCOR, INC. (US)	1995-06-01	—	—	WO	disclosed